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Results for “Reversible computation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

CO2 and humidity removal system for extended Shuttle missions - Equilibrium testing and performance analysis

In Shuttle orbiter cabins, lithium hydroxide (LiOH) canisters are currently planned to be used for CO2 adsorption and condensing heat exchangers for humidity control. In this paper a more effective CO2 and humidity removal method is proposed by replacing the LiOH component with HS-C adsorbent (a polyethylenimine coated acrylic ester), thus eliminating the low temperature constraints on the active thermal control system. Since the adsorption of CO2 and H2O are reversible, a double bed configuration operating cyclicly is planned to provide continuous atmospheric control. Apparatus and the experimental procedure to test the adsorption equilibrium are described and some of the indicative results, tabulated by computers, are presented with the help of exponential expressions and differential equations. By using a computer model of the Shuttle HS-C system, performance predictions are made.

Davis, S. H.↗
NASA NTRS1979

Development of high-cycle fatigue design curves for a cast aluminum alloy

Life prediction curves for rocket engine pump parts were developed from the results of high-cycle fatigue tests run on cast-aluminum specimens. Notched and smooth specimens were cyclically tested at different mean stress levels at -320 F (78 K). The notch size and mean stress enveloped the design operating conditions. Local stress computed in the groove of the notched specimen was used to represent its fatigue strength. The von Mises criterion was used to determine effective cyclic stresses. The Goodman rule was applied to determine equivalent reversed alternating stresses. The procedure permitted the notched and smooth data sets to each be described by a single curve. High-cycle fatigue life curves were provided for the stress state, mean stress, and stress concentration spanned by the data.

Cooper, R. A.↗
NASA NTRS1981

Software for universal noiseless coding

An overview is provided of the universal noiseless coding algorithms as well as their relationship to the now available FORTRAN implementations. It is suggested that readers considering investigating the utility of these algorithms for actual applications should consult both NASA's Computer Software Management and Information Center (COSMIC) and descriptions of coding techniques provided by Rice (1979). Examples of applying these techniques have also been given by Rice (1975, 1979, 1980). Attention is given to reversible preprocessing, general implementation instructions, naming conventions, and calling arguments. A general applicability of the considered algorithms to solving practical problems is obtained because most real data sources can be simply transformed into the required form by appropriate preprocessing.

Rice, R. F.↗
NASA NTRS1989

Navier-Stokes analysis of solid propellant rocket motor internal flows

A multidimensional implicit Navier-Stokes analysis that uses numerical solution of the ensemble-averaged Navier-Stokes equations in a nonorthogonal, body-fitted, cylindrical coordinate system has been applied to the simulation of the steady mean flow in solid propellant rocket motor chambers. The calculation procedure incorporates a two-equation (k-epsilon) turbulence model and utilizes a consistently split, linearized block-implicit algorithm for numerical solution of the governing equations. The code was validated by comparing computed results with the experimental data obtained in cylindrical-port cold-flow tests. The agreement between the computed and experimentally measured mean axial velocities is excellent. The axial location of transition to turbulent flow predicted by the two-equation (k-epsilon) turbulence model used in the computations also agrees well with the experimental data. Computations performed to simulate the axisymmetric flowfield in the vicinity of the aft field joint in the Space Shuttle solid rocket motor using 14,725 grid points show the presence of a region of reversed axial flow near the downstream edge of the slot.

Sabnis, J. S.↗
DOE OSTI2025

A DATA EFFICIENT SPARSE MODELING FRAMEWORK FOR POWER ESTIMATION IN WATER TREATMENT SENSING OPERATIONS

With increasing freshwater scarcity, advanced process design mechanisms such as Closed-Circuit Reverse Osmosis (CCRO) and Digital/Physical Twin systems are gaining traction in water treatment and reuse operations. While digital and physical twin models enable improved system insight and control, their development is often expensive and computationally intensive, requiring large volumes of synthetic or experimental data to characterize underlying process dynamics. This work introduces a sparse surrogate modeling framework to estimate power consumption from measured flow and pressure variables, along with their nonlinear polynomial and interaction expansions. To ensure model reliability and reduce overfitting, a two-stage pipeline is proposed. First, a dynamic data filtering algorithm is employed to remove uninformative observations and transient operational states. Second, a sparse penalized regression technique is applied to select a minimal set of parsimonious features. The proposed model achieves high sparsity, retaining only 7 out of 34 candidate features (≈79.41% sparsity) while delivering a root mean square error (RMSE) of 0.072 on the test dataset.

Mukherjee, Subrata [ORNL] (ORCID:0000000309930338)↗
DOE OSTI2023

Direct Visualization of Charge Migration in Bilayer Tantalum Oxide Films by Multimodal Imaging

Inspired by biological neuromorphic computing, artificial neural networks based on crossbar arrays of bilayer tantalum oxide memristors have shown to be promising alternatives to conventional complementary metal-oxide-semiconductor (CMOS) architectures. In order to understand the driving mechanism in these oxide systems, tantalum oxide films are resistively switched by conductive atomic force microscopy (C-AFM), and subsequently imaged by kelvin probe force microscopy (KPFM) and spatially resolved time-of-flight secondary ion mass spectrometry (ToF-SIMS). These workflows enable induction and analysis of the resistive switching mechanism as well as control over the resistively switched region of the film. In this work it is shown that the resistive switching mechanism is driven by both current and electric field effects. Reversible oxygen motion is enabled by applying low (<1 V) electric fields, while high electric fields generate irreversible breakdown of the material (>1 V). Fully understanding oxygen motion and electrical effects in bilayer oxide memristor systems is a fundamental step toward the adoption of memristors as a neuromorphic computing technology.

36 MATERIALS SCIENCE↗
NASA NTRS1994

THE VERTICAL

'THE VERTICAL' computer keyboard is designed to address critical factors which contribute to Repetitive Motion Injuries (RMI) (including Carpal Tunnel Syndrome) in association with computer keyboard usage. This keyboard splits the standard QWERTY design into two halves and positions each half 90 degrees from the desk. In order to access a computer correctly. 'THE VERTICAL' requires users to position their bodies in optimal alignment with the keyboard. The orthopaedically neutral forearm position (with hands palms-in and thumbs-up) reduces nerve compression in the forearm. The vertically arranged keypad halves ameliorate onset occurrence of keyboard-associated RMI. By utilizing visually-reference mirrored mylar surfaces adjustable to the user's eye, the user is able to readily reference any key indicia (reversed) just as they would on a conventional keyboard. Transverse adjustability substantially reduces cumulative musculoskeletal discomfort in the shoulders. 'THE VERTICAL' eliminates the need for an exterior mouse by offering a convenient finger-accessible curser control while the hands remain in the vertically neutral position. The potential commercial application for 'THE VERTICAL' is enormous since the product can effect every person who uses a computer anywhere in the world. Employers and their insurance carriers are spending hundreds of millions of dollars per year as a result of RMI. This keyboard will reduce the risk.

Albert, Stephen L.↗
DOE OSTI2017

Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites

Reversible intercalation reactions provide the basis for modern battery electrodes. Despite decades of exploration of electrode materials, the potential for materials in the nonoxide chemical space with regards to intercalation chemistry is vast and rather untested. Transition metal fluorides stand out as an obvious target. To this end, we report herein a new family of iron fluoride-based perovskite cathode materials A x K 1–x FeF 3 (A = Li, Na). By starting with KFeF 3 , approximately 75% of K + ions were subsequently replaced by Li + and Na + through electrochemical means. X-ray diffraction and Fe X-ray absorption spectroscopy confirmed the existence of intercalation of alkali metal ions in the perovskite structure, which is associated with the Fe 2+/3+ redox couple. A computational study by density functional theory showed agreement with the structural and electrochemical data obtained experimentally, which suggested the possibility of fluoride-based materials as potential intercalation electrodes. This study increases our understanding of the intercalation chemistry of ternary fluorides, which could inform efforts toward the exploration of new electrode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Application of Quantum Annealing to Nurse Scheduling Problem

Quantum annealing is a promising heuristic method to solve combinatorial optimization problems, and efforts to quantify performance on real-world problems provide insights into how this approach may be best used in practice. We investigate the empirical performance of quantum annealing to solve the Nurse Scheduling Problem (NSP) with hard constraints using the D-Wave 2000Q quantum annealing device. NSP seeks the optimal assignment for a set of nurses to shifts under an accompanying set of constraints on schedule and personnel. After reducing NSP to a novel Ising-type Hamiltonian, we evaluate the solution quality obtained from the D-Wave 2000Q against the constraint requirements as well as the diversity of solutions. For the test problems explored here, our results indicate that quantum annealing recovers satisfying solutions for NSP and suggests the heuristic method is potentially achievable for practical use. Moreover, we observe that solution quality can be greatly improved through the use of reverse annealing, in which it is possible to refine returned results by using the annealing process a second time. We compare the performance of NSP using both forward and reverse annealing methods and describe how this approach might be used in practice.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Atmospheric pressure plasmas interacting with wet and dry microchannels: reverse surface ionization waves

Atmospheric pressure plasma jets (APPJs) are increasingly being used to functionalize polymers and dielectric materials for biomedical and biotechnology applications. Once such application is microfluidic labs-on-a-chip consisting of dielectric slabs with microchannel grooves hundreds of microns in width and depth. The periodic channels, an example of a complex surface, present challenges in terms of directly and uniformly exposing the surface to the plasma. In this paper, we discuss results from computational and experimental investigations of negative APPJs sustained in Ar/N 2 mixtures flowing into ambient air and incident onto a series of microchannels. Results from two-dimensional plasma hydrodynamics modeling are compared to experimental measurements of electric field and fast-camera imaging. The propagation of the plasma across dry microchannels largely consists of a sequence of surface ionization waves (SIWs) on the top ridges of the channels and bulk ionization waves (IWs) crossing over the channels. The IWs are directed into electric field enhanced vertices of the next ridge. The charging of these ridges produce reverse IWs responsible for the majority of the ionization. The propagation of the plasma across water filled microchannels evolve into hopping SIWs between the leading edges of the water channels, regions of electric enhancement due to polarization of the water. Positive, reverse IWs follow the pre-ionized path of the initial negative waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Investigating the Chinese postman problem on a quantum annealer

The recent availability of quantum annealers has fueled a new area of information technology where such devices are applied to address practically motivated and computationally difficult problems with hardware that exploits quantum mechanical phenomena. D-Wave annealers are promising platforms to solve these problems in the form of quadratic unconstrained binary optimization. Here we provide a formulation of the Chinese postman problem that can be used as a tool for probing the local connectivity of graphs and networks. We treat the problem classically with a tabu algorithm and simulated annealing, and using a D-Wave device. The efficiency of quantum annealing with respect to the simulated annealing has been demonstrated using the optimal time to solution metric. We systematically analyze computational parameters associated with the specific hardware. Our results clarify how the interplay between the embedding due to limited connectivity of the Chimera graph, the definition of logical qubits, and the role of spin-reversal controls the probability of reaching the expected solution

36 MATERIALS SCIENCE↗
DOE OSTI2018

Stochasticity of Pores Interconnectivity in Li–O 2 Batteries and its Impact on the Variations in Electrochemical Performance

While large dispersions in electrochemical performance have been reported for lithium oxygen batteries in the literature, they have not been investigated in any depth. The variability in the results is often assumed to arise from differences in cell design, electrode structure, handling and cell preparation at different times. An accurate theoretical framework turns out to be needed to get a better insight into the mechanisms underneath and to interpreting experimental results. Here, we develop and use a pore network model to simulate the electrochemical performance of three-dimensionally resolved lithium-oxygen cathode mesostructures obtained from TXM nano-computed tomography images. Here, we apply this model to the 3D reconstructed object of a Super P carbon electrode and calculate discharge curves, using identical conditions, for four different zones in the electrode and their reversed configurations. The resulting galvanostatic discharge curves show some dispersion, (both in terms of capacity and overpotential) which we attribute to the way pores are connected with each other. Based on these results, we propose that the stochastic nature of pores interconnectivity and the microscopic arrangement of pores can lead, at least partially, to the variations in electrochemical results observed experimentally.

25 ENERGY STORAGE↗
DOE OSTI2019

The Dissociation Mechanism of Processive Cellulases

Cellulase enzymes deconstruct recalcitrant cellulose into soluble sugars, making them a biocatalyst of biotechnological interest for use in the nascent lignocellulosic bioeconomy. Cellobiohydrolases (CBHs) are cellulases capable of liberating many sugar molecules in a processive manner without dissociating from the substrate. Within the complete processive cycle of CBHs, dissociation from the cellulose substrate is rate limiting, but the molecular mechanism of this step is unknown. Here, we present a direct comparison of potential molecular mechanisms for dissociation via Hamiltonian replica exchange molecular dynamics of the model fungal CBH, Trichoderma reesei Cel7A. Computational rate estimates indicate that stepwise cellulose dethreading from the binding tunnel is 4 orders of magnitude faster than a clamshell mechanism, in which the substrate-enclosing loops open and release the substrate without reversing. We also present the crystal structure of a disulfide variant that covalently links substrate-enclosing loops on either side of the substrate-binding tunnel, which constitutes a CBH that can only dissociate via stepwise dethreading. Biochemical measurements indicate that this variant has a dissociation rate constant essentially equivalent to the wild type, implying that dethreading is likely the predominant mechanism for dissociation.

09 BIOMASS FUELS↗
DOE OSTI2024

Integrated protonic ceramic electrochemical cell for sustainable energy economy using water-energy nexus framework

Reliance on fossil fuels will continue for the next decades even though there are global pushes away from it to mitigate the overarching climate challenge, most especially by its highest consumers and availability. While there is a hastening global shift away from fossil fuel, integrating its assets into this technology helps limit the risk and future losses of stranded assets and reduce the cost of investment in the new technologies. Moreover, the generation of electricity from intermittent renewable sources like solar and wind has witnessed a significant surge in recent years, leading to a pressing demand for practical energy storage systems. Electrical energy storage is anticipated to play a pivotal role in the future global energy system, facilitating load-leveling operations to support the greater integration of renewable and distributed generation. Reversible electrochemical cells (RECs) offer a promising option for addressing the fossil fuel assets integration and energy storage challenges through the interconversion between electrical and chemical energy and concurrent utilizing carbon emission. In their electrolysis mode, the RECs convert electricity into durable, storable, and portable valuable chemical fuels such as syngas and methane. Conversely, the produced chemical fuels can be used as reactants in the fuel cell mode to generate electricity on demand with minimal (hydrocarbons) or zero when H2 or NH3 is used emissions. However, a challenging goal for this type of technology remains to achieve optimal operation and high roundtrip efficiencies, which has hindered the deployment of previous electrochemical cells. This dissertation demonstrates how reversible protonic ceramic electrochemical cells (RePCECs) can be integrated with fossil fuel power plants and renewable energy sources as a potential energy storage system. In this work, integrated RePCEC systems are designed and examined using computational modeling at scales to determine appropriate system configurations and operating conditions that achieve high roundtrip efficiencies. Cell level design of the PCEC is the first approach, several cells are assembled for the stack level model that is integrated into combined cycle powerplant and solar photovoltaic for the system level model. After critical literature review, this answered the operational and integration research questions proposed to address these challenges. The designed systems perform two functions, utilizing captured CO2 and storing renewable energy through co-electrolysis of steam and CO2. The co-electrolysis reaction involves endothermic water electrolysis and exothermic methanation reaction. To enhance high roundtrip efficiency, there is a need for thermal balance and management in the electrolysis mode. This involves operating the RePCEC stack under conditions that favor methane production to balance out heat needed by water electrolysis, it crucial for the RePCEC system operation. Methanation is enhanced by low temperatures. Leveraging on fabricated BCZYYb-electrolyte RePCEC, the cell model designed revealed that the optimum temperature for methane production is 450℃ at atmospheric pressure. Thus, to achieve optimum system performance, operating in the temperature range 450-525℃ is recommended at the given configuration, combining between the optimum temperature for methane production and temperature for the optimum stack roundtrip efficiency. Configuration with carbon capture system and purge stream is the optimum configuration from the seven conceptualized and evaluated. The modeling outcomes include a thermodynamic examination of integrated RePCEC systems, calibration of cell and stack level models, and steady-state simulation and integration into a 600MW combined cycle power plant retrofitted with two two-stage membrane-based carbon capture system and a wastewater treatment and recovery unit. At 100% powerplant loading, the stack and system roundtrip efficiencies are 72% and 51.37% respectively. Adding a purge stream for produced hydrogen at the system downstream improves the efficiencies to 74 and 55.48% respectively. At atmospheric pressure and 525℃, the system model suggests that a stack roundtrip of 82% is achievable, and overall system efficiency increases by reducing the energy consumption by the balance of plant components for steam generation and storage. Economic analysis of the process gives levelized cost of methane as $2.24/MMBtu lower than the conventional production route that range between $3.46/MMBtu and $9.85/MMBtu. The lifecycle analysis shows that the global warming potential for the production of methane and hydrogen from the RePCEC system is 3.83 kg CO2 eq which is lower than 9.35 kg CO2 eq emission during steam methane reforming for hydrogen production. This answered both the environmental and economic concerns in the raised research question. The proposed RePCEC configuration and analysis carried out in this dissertation to address the surge in renewable energy and challenges with PCEC technology hold significant potential in achieving large-scale energy storage while simultaneously reducing carbon emissions. These advancements, coupled with suitable governmental policies and incentive programs, have the potential to economically disrupt the natural gas industries by using RePCEC systems for methane production, thereby making them more favorable for eventual implementation and commercialization.

25 ENERGY STORAGE↗
DOE OSTI2024

Association Kinetics for Perfluorinated n -Alkyl Radicals

Radical-radical reaction channels are important in the pyrolysis and oxidation chemistry of perfluoroalkyl substances (PFAS). In particular, unimolecular dissociation reactions within unbranched n-perfluoroalkyl chains, and their corresponding reverse barrierless association reactions, are expected to be significant contributors to the gas-phase thermal decomposition of families of species such as perfluorinated carboxylic acids and perfluorinated sulfonic acids. Unfortunately, experimental data for these reactions are scarce and uncertain. Furthermore, obtaining reliable theoretical predictions for such reactions is a laborious and computationally intensive task. Here, in this work, the chemical kinetics of the various association/decomposition reactions producing/decomposing the C 2 -C 4 series of unbranched n-perfluoroalkanes (C 2 F 6 , C 3 F 8 , and C 4 F 10 ) are examined using state-of-the-art ab initio transition-state-theory-based master-equation calculations. The variable-reaction-coordinate transition-state theory (VRC-TST) formalism is employed in computing the microcanonical and canonical rates for the association reactions. Reaction thermochemistry is obtained via composite quantum chemistry calculations and the laddering of error-canceling reaction schemes via a connectivity-based hierarchy approach employing ANL1/ANL0-style reference energies. Lennard-Jones collision model parameters for the considered systems were estimated by a direct dynamics approach, and collisional energy transfer parameters were obtained from analogies to systems of similar size and heavy-atom connectivity. A one-dimensional master equation approach was used to convert the microcanonical rate coefficients from the VRC-TST analysis into temperature- and pressure-dependent rate constants for the association reactions and the reverse dissociation reactions. The data are reported in standardized formats for usage in comprehensive chemical kinetic models for PFAS thermal destruction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Wings: A New Paradigm in Human-Centered Design

Many aircraft accidents/incidents investigations cite crew error as a causal factor (Boeing Commercial Airplane Group 1996). Human factors experts suggest that crew error has many underlying causes and should be the start of an accident investigation and not the end. One of those causes, the flight deck design, is correctable. If a flight deck design does not accommodate the human's unique abilities and deficits, crew error may simply be the manifestation of this mismatch. Pilots repeatedly report that they are "behind the aircraft" , i.e., they do not know what the automated aircraft is doing or how the aircraft is doing it until after the fact. Billings (1991) promotes the concept of "human-centered automation"; calling on designers to allocate appropriate control and information to the human. However, there is much ambiguity regarding what it mean's to be human-centered. What often are labeled as "human-centered designs" are actually designs where a human factors expert has been involved in the design process or designs where tests have shown that humans can operate them. While such designs may be excellent, they do not represent designs that are systematically produced according to some set of prescribed methods and procedures. This paper describes a design concept, called Wings, that offers a clearer definition for human-centered design. This new design concept is radically different from current design processes in that the design begins with the human and uses the human body as a metaphor for designing the aircraft. This is not because the human is the most important part of the aircraft (certainly the aircraft would be useless without lift and thrust), but because he is the least understood, the least programmable, and one of the more critical elements. The Wings design concept has three properties: a reversal in the design process, from aerodynamics-, structures-, and propulsion-centered to truly human-centered; a design metaphor that guides function allocation and control and display design; and a deliberate distinction between two fundamental functions of design, to complement and to interpret human performance. The complementary function extends the human's capabilities beyond his or her current limitations - this includes sensing, computation, memory, physical force, and human decision making styles and skills. The interpretive (or hermeneutic, Hollnagel 1991) function translates information, functionality, and commands between the human and the aircraft. The Wings design concept allows the human to remain aware of the aircraft through natural interpretation. It also affords great improvements in system performance by maximizing the human's natural abilities and complementing the human's skills in a natural way. This paper will discuss the Wings design concept by describing the reversal in the traditional design process, the function allocation strategy of Wings, and the functions of complementing and interpreting the human.

Schutte, Paul C.↗
DOE OSTI2022

Industrial Deployment of Computer Aided Manufacturing Software for Hybrid Advanced Manufacturing

GibbsCAM, 3D Systems’ software product, is a full-featured CAM system that provides powerful CNC programming, capabilities, and solutions, delivering high quality parts without sacrificing ease of use. Oak Ridge National Laboratory (ORNL) collaborated with GibbsCAM to evaluate their toolpath generating software being developed for both blown powder and hybrid CNC/additive manufacturing machinery. The current approach in toolpath solutions for additive manufacturing is to utilize subtractive toolpaths created by existing CAM software and reversing it for additive manufacturing applications. GibbsCAM is working to develop a full solution to mitigate the challenges that arise with this approach and deploy a fully customized solution for producing quality, reliable components for a range of different DED systems. When successful, this will be an automated solution deployed through a future release of GibbsCAM software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Development of control quality factor for HVAC control loop performance assessment I—Methodology (ASHRAE RP-1587)

This article is the second paper from the ASHRAE research project RP-1587, focusing on the methodology of obtaining a control quality factor (CQF). This article presents a development of two CQFs for assessing the heating, ventilation, and air-conditioning (HVAC) control loop performance. Both CQFs are able to detect whether the control loop is able to maintain the setpoint and identify the loop's ability to handle disturbances. In addition, the reversal behaviors are assessed as well. The first CQF (CQF-Harris) is proposed based on the normalized Harris index using the recursive least squares method. This recursive least squares method is selected because of its computational efficiency compared with the maximum likelihood estimation method. The second CQF (CQF-EWMA) is based on the exponentially weighted moving average of the error ratio. The assessment scale of excellent, good, fair, bad, and failed, which indicates the quality of the HVAC control loops, is established as well. The sensitivity analysis for both CQFs is also conducted, and it provides insights on choosing the appropriate parameters to compute such CQFs. Such parameters include the sampling frequency, the length of the moving window, and the variance of the unmeasured disturbance. The field evaluations and tests of the proposed CQFs for simulated control loops and real control loops can be found in the companion paper with the title 'Development of Control Quality Factor for HVAC Control Loop Performance Assessment - III: Field Testing and Results (ASHRAE RP-1587).'

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗